SCHEMBL1023329

SCHEMBL1023329

COc1ccccc1NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N(OC(=O)C(F)(F)F)C(=O)Nc4ccccc4)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
FAAH O00519 5/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
CCR5 P51681 1/20 0.42
NPC1 O15118 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL1023327 0.86 MAPT (0.54) HPGDALDH1A1MAPTLMNAKMT2A
SCHEMBL12954903 0.84 MAPT (0.60) HPGDALDH1A1MAPTLMNAKMT2A
SCHEMBL1019152 0.81 NPC1 (0.46) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL1021865 0.73 KDM4E (0.41) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL1075172 0.72 ACKR3 (0.40) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL1018777 0.70 MEN1 (0.57) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL1021696 0.70 ALDH1A1 (0.61) HPGDALDH1A1MAPTLMNAKMT2A
SCHEMBL1020379 0.69 SIGMAR1 (0.49) HPGD
SCHEMBL1020428 0.68 LMNA (0.60) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL28052665 0.68 MEN1 (0.53) ALDH1A1MAPTLMNAKMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 HPGD 754/4885ALDH1A1 1749/4885MAPT 3316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.